SCHEMBL1828342

SCHEMBL1828342

CCOC(=O)C(NC(=O)c1cccc(C)c1)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.62
TAS1R1 Q7RTX1 1/20 0.62
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.57
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
KCNK3 O14649 3/20 0.50
KCNK9 Q9NPC2 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KCNH2 Q12809 1/20 0.50
RAB9A P51151 2/20 0.49
PARP15 Q460N3 1/20 0.47
CTSL P07711 1/20 0.47
GPR139 Q6DWJ6 1/20 0.47
NPC1 O15118 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27881880 0.93 TAS1R3 (0.58) TAS1R3TAS1R1ALDH1A1MAPTKDM4E
SCHEMBL1829682 0.85 LMNA (0.58) TAS1R3TAS1R1ALDH1A1KDM4EHDAC6
SCHEMBL5520763 0.85 HDAC1 (0.50) TAS1R3TAS1R1ALDH1A1MAPTKDM4E
SCHEMBL5784044 0.84 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5782189 0.81 KMT2A (0.54) TAS1R3TAS1R1ALDH1A1MAPTHDAC6
SCHEMBL30522592 0.80 ATM (0.67) TAS1R3TAS1R1ATMHDAC8HDAC6
SCHEMBL1754131 0.80 ATM (0.67) TAS1R3TAS1R1ATMHDAC8HDAC6
SCHEMBL28736404 0.79 ALDH1A1 (0.56) TAS1R3TAS1R1ALDH1A1MAPTKDM4E
SCHEMBL28736403 0.79 ALDH1A1 (0.56) TAS1R3TAS1R1ALDH1A1MAPTKDM4E
SCHEMBL1828343 0.79 TAS1R3 (0.52) TAS1R3TAS1R1ALDH1A1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102791716-B 2,5,7-replaces oxazole pyrimidine derivatives SAI NUOFEI (FR) 2016-05-11 CN disclosed
US-8785439-B2 2,5,7-substituted oxazolopyrimidine derivatives SANOFI (FR) 2014-07-22 US disclosed
US-8735387-B2 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2014-05-27 US disclosed
CN-102159582-B Oxazolopyrimidines as edg-1 receptor agonists SANOFI AVENTIS 2014-05-07 CN disclosed
EP-2523961-B1 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI SA (FR) 2013-12-18 EP disclosed
US-20130137685-A1 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2013-05-30 US disclosed
EP-2583720-A1 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2013-04-24 EP disclosed
EP-2318415-B1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI SA (FR) 2013-02-20 EP disclosed
EP-2523961-A1 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2012-11-21 EP disclosed
CN-102159582-A Oxazolopyrimidines as edg-1 receptor agonists SANOFI AVENTIS 2011-08-17 CN disclosed
US-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
WO-2011086075-A1 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed
EP-2318415-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS Sanofi-Aventis (FR) 2011-05-11 EP disclosed
WO-2010006704-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2010-01-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130137685-A1 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES DPYD, UNG, CDK2 TAS1R3 2442/4885TAS1R1 2007/4885ALDH1A1 39/4885
US-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS EDNRA, OXGR1, EDF1 TAS1R3 807/4885TAS1R1 410/4885ALDH1A1 1007/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.